4-tert-butyl-N-[5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[(3,5-dimethylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-[(3,5-dimethylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C22H25N3OS2/c1-14-10-15(2)12-16(11-14)13-27-21-25-24-20(28-21)23-19(26)17-6-8-18(9-7-17)22(3,4)5/h6-12H,13H2,1-5H3,(H,23,24,26)